SCHEMBL31344136

SCHEMBL31344136

NCCCN1CCC[C@H]1c1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
CHRNA7 P36544 4/20 0.59
CHRNB2 P17787 4/20 0.59
CHRNA4 P43681 4/20 0.59
CHRNB4 P30926 2/20 0.59
CHRNA3 P32297 2/20 0.59
CHRNA2 Q15822 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
LMNA P02545 1/20 0.59
HTR3E A5X5Y0 1/20 0.59
PSIP1 O75475 1/20 0.59
TRPA1 O75762 1/20 0.59
HTR3B O95264 1/20 0.59
CHRNA1 P02708 1/20 0.59
CHRNG P07510 1/20 0.59
MAPT P10636 1/20 0.59
CHRNB1 P11230 1/20 0.59
CYP2A6 P11509 1/20 0.59
PTGS1 P23219 1/20 0.59
CHRNA5 P30532 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9673665 1.00 ALDH1A1 (0.59) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL30866539 1.00 ALDH1A1 (0.59) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL9673668 1.00 ALDH1A1 (0.59) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL9673658 1.00 ALDH1A1 (0.59) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL9674682 0.96 ALDH1A1 (0.58) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL31019612 0.96 ALDH1A1 (0.58) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL9674689 0.96 ALDH1A1 (0.58) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL9674691 0.96 ALDH1A1 (0.58) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL30866551 0.96 ALDH1A1 (0.58) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL9675463 0.95 CHRNB2 (0.59) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118984653-A Vaporizable alkaloid compositions and methods of use thereof 瑞迪美天然有限公司 2024-11-19 CN claimed
CN-119950500-A Tobacco pest-reducing and pain-relieving products and methods thereof 瑞迪美天然有限公司 2025-05-09 CN disclosed
CN-119908508-A Gasified alkaloid composition and method of use thereof 瑞迪美天然有限公司 2025-05-02 CN disclosed
WO-2025058941-A1 TOBACCO HARM REDUCTION AND PAIN RELIEF PRODUCTS AND METHODS THEREOF Ready Mix Naturals, LLC (US) 2025-03-20 WO disclosed
CN-119523150-A Gasified alkaloid composition and method of use thereof 瑞迪美天然有限公司 2025-02-28 CN disclosed
CN-118984653-A Vaporizable alkaloid compositions and methods of use thereof 瑞迪美天然有限公司 2024-11-19 CN disclosed